General
Preferred name
NECA
Synonyms
5'-N-Ethylcarboxamidoadenosine ()
[3H]NECA ()
5'-N-Ethylcarboxamidoadenosine (NECA) ()
5'-(N-Ethylcarboxamido)adenosine, Adenosine-5'N-ethylcarboxamide, 5'-Ethylcarboxamidoadenosine ()
[3H]NECA ()
5'-N-Ethylcarboxamidoadenosine (hydrate) ()
P&D ID
PD021808
CAS
35920-39-9
100111-00-0
Tags
drug candidate
natural product
biased GPCR ligand
available
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 5-HT4 agonist; stimulates intestinal ACh release (Tocris Bioactive Compound Library)
DESCRIPTION High affinity adenosine receptor agonist (Tocriscreen Plus)
DESCRIPTION Adenosine receptor agonist (Tocriscreen Total)
Cell lines
1
Organisms
4
Compound Sets
18
BiasDB
NECA
Cayman Chemical Bioactives
21420
Concise Guide to Pharmacology 2017/18
377
Concise Guide to Pharmacology 2019/20
377
Concise Guide to Pharmacology 2021/22
377
Concise Guide to Pharmacology 2023/24
377
Drug Repurposing Hub
DrugMAP
DMAO9SH
EU-OPENSCREEN Bioactive Compound Library
EOS101640
Guide to Pharmacology
377
425
Mcule NIBR MoA Box Subset
MCULE-4229316691
MedChem Express Bioactive Compound Library
HY-103173
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
5-n-ethylcarboxamidoadenosine
TargetMol Bioactive Compound Library
T7340
Tocris Bioactive Compound Library
1691
Tocriscreen Plus
1691
Tocriscreen Total
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
308.12
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.84
TPSA
148.41
Fraction CSP3
0.5
Chiral centers
4.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Pathway
Neuroscience
GPCR/G protein
Target
Adenosine Receptor
ADORA1, ADORA2A, ADORA2B, ADORA3
Adenosine Receptor,CD markers,Interleukins,JNK,p38 MAPK,TNF-alpha
Primary Target
Non-selective Adenosine
MOA
Agonist
Adenosine Receptor Agonists
Adenosine Receptor agonist
Member status
member
Source data